2-[(3R,4S)-4-methoxyoxolan-3-yl]oxy-3-nitropyridine

C10H12N2O5 — CID 129256660

IUPAC2-[(3R,4S)-4-methoxyoxolan-3-yl]oxy-3-nitropyridine
SMILESCO[C@H]1COC[C@H]1Oc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O5/c1-15-8-5-16-6-9(8)17-10-7(12(13)14)3-2-4-11-10/h2-4,8-9H,5-6H2,1H3/t8-,9+/m0/s1
InChIKeyKXXXJJKGWPXLRA-DTWKUNHWSA-N
MW240.22 g/mol
LogP0.78
Rot. Bonds4

About 2-[(3R,4S)-4-methoxyoxolan-3-yl]oxy-3-nitropyridine

2-[(3R,4S)-4-methoxyoxolan-3-yl]oxy-3-nitropyridine (PubChem CID 129256660) has the molecular formula C10H12N2O5 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-[(3R,4S)-4-methoxyoxolan-3-yl]oxy-3-nitropyridine.

Molecular Properties

Compound Name2-[(3R,4S)-4-methoxyoxolan-3-yl]oxy-3-nitropyridine
PubChem CID129256660
Molecular FormulaC10H12N2O5
Molecular Weight240.22 g/mol
Exact Mass240.07
IUPAC Name2-[(3R,4S)-4-methoxyoxolan-3-yl]oxy-3-nitropyridine
SMILESCO[C@H]1COC[C@H]1Oc1ncccc1[N+](=O)[O-]
InChIInChI=1S/C10H12N2O5/c1-15-8-5-16-6-9(8)17-10-7(12(13)14)3-2-4-11-10/h2-4,8-9H,5-6H2,1H3/t8-,9+/m0/s1
InChIKeyKXXXJJKGWPXLRA-DTWKUNHWSA-N
XLogP0.78
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(1R,3S)-3-methoxycyclohexyl]oxy-3-nitropyridine
CID 58421668
2-cyclopentyloxy-3-nitropyridine
CID 124707283
(2S,3R,4S,5R)-2-[(3-nitro-2-pyridinyl)oxy]oxane-3,4,5-triol
CID 10858605
3-nitro-2-(oxan-3-yloxy)pyridine
CID 67395287
[(3R,3aR,6R,6aS)-3-[(3-nitro-2-pyridinyl)oxy]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] trifluoromethanesulfonate
CID 118498476
3-nitro-2-[(3S)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 53255983
2-[4-(4-methylphenoxy)phenoxy]-3-nitropyridine
CID 24632876
2-(3,5-dimethylphenoxy)-3-nitropyridine
CID 12675961
1-cyclopropyl-N-methyl-2-[(3-nitro-2-pyridinyl)oxy]ethanamine
CID 71144946
2-(2,2-difluoroethoxy)-3-nitropyridine
CID 58413333
3-nitro-2-[2-[[2-[(3-nitro-2-pyridinyl)oxy]phenyl]disulfanyl]phenoxy]pyridine
CID 618978
5-(3-bromo-2-methoxycyclobutyl)oxy-8-nitroquinoline
CID 116525723

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-4-methoxyoxolan-3-yl]oxy-3-nitropyridine?
The IUPAC name of 2-[(3R,4S)-4-methoxyoxolan-3-yl]oxy-3-nitropyridine (CID 129256660) is 2-[(3R,4S)-4-methoxyoxolan-3-yl]oxy-3-nitropyridine.
What is the SMILES notation for 2-[(3R,4S)-4-methoxyoxolan-3-yl]oxy-3-nitropyridine?
The canonical SMILES for 2-[(3R,4S)-4-methoxyoxolan-3-yl]oxy-3-nitropyridine is CO[C@H]1COC[C@H]1Oc1ncccc1[N+](=O)[O-].
What is the InChIKey of 2-[(3R,4S)-4-methoxyoxolan-3-yl]oxy-3-nitropyridine?
The InChIKey is KXXXJJKGWPXLRA-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-15-8-5-16-6-9(8)17-10-7(12(13)14)3-2-4-11-10/h2-4,8-9H,5-6H2,1H3/t8-,9+/m0/s1.
What are the key properties of 2-[(3R,4S)-4-methoxyoxolan-3-yl]oxy-3-nitropyridine?
2-[(3R,4S)-4-methoxyoxolan-3-yl]oxy-3-nitropyridine has a molecular weight of 240.22 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-4-methoxyoxolan-3-yl]oxy-3-nitropyridine is sourced from PubChem (CID 129256660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).